Related papers: Bandwidth and Fermi surface of Iron-Oxypnictides: …
Among numerous hypotheses, recently proposed to explain superconductivity in iron-based superconductors [1-9], many consider Fermi surface (FS) nesting [2, 4, 8, 10] and dimensionality [4, 9] as important contributors. Precise determination…
In layered single band systems, the interlayer conductivity depends on the orientation of the in-plane magnetic field and takes maximum values when the magnetic field is perpendicular to flat regions of the Fermi surface. Extending this…
The band structure and the Fermi surface of the recently discovered superconductor (EMIM)$_x$FeSe are studied within the density functional theory in the generalized gradient approximation. We show that the bands near the Fermi level are…
Strain control is one of the most promising avenues to search for new emergent phenomena in transition-metal-oxide films. Here, we investigate the strain-induced changes of electronic structures in strongly correlated LaNiO3 (LNO) films,…
We report that the $\pi$ band of graphene sensitively changes as a function of an external potential induced by Na especially when the potential becomes periodic at low temperature. We have measured the band structures from the graphene…
Modifications of the electronic bands of thin FeSe films due to oxygen vacancies in the supporting SrTiO 3 (001) substrate - and the interplay with spin-orbit coupling, magnetism, and epitaxy - are investigated by first-principles supercell…
High resolution angle-resolved photoemission spectroscopy (ARPES) measurements are carried out on CaKFe$_4$As$_4$, KCa$_2$Fe$_4$As$_4$F$_2$ and (Ba$_{0.6}$K$_{0.4}$)Fe$_2$As$_2$ superconductors. Clear evidence of band folding between the…
Following the discovery of the Fe-pnictide superconductors, LDA band structure calculations showed that the dominant contributions to the spectral weight near the Fermi energy came from the Fe 3d orbitals. The Fermi surface is characterized…
The level of electronic correlation has been one of the key questions in understanding the nature of superconductivity. Among the iron-based superconductors, the iron chalcogenide family exhibits the strongest electron correlations. To…
We discuss the discrepancy between the measured optical Drude weight and band structure calculations in LaFePO and other iron-based superconductors. This discrepancy is mostly due to mass renormalization arising from electronic correlation…
We provide a systematic study on the electronic structure of a series of Ta$_2$O$_5$ polymorphs using standard density functional theory (DFT) calculations as well as the more accurate many-body perturbation theory within the GW…
In the family of the iron-based superconductors, the $RE$FeAsO-type compounds (with $RE$ being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures ($T_{\mathrm{c}}$) up to $55\ \textrm{K}$ and thus hold the…
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the normal state electronic structure, Fermi surface, and magnetic correlations of the recently…
We report the electronic structure of the iron-chalcogenide superconductor, Fe1.04(Te0.66Se0.34), obtained with high resolution angle-resolved photoemission spectroscopy and density functional calculations. In photoemission measurements,…
The isovalent-substituted iron-pnictide superconductor SrFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$ ($x$=0.35) has a slightly higher optimum critical temperature than the similar system BaFe$_{2}$(As$_{1-x}$P$_{x}$)$_{2}$, and its parent compound…
We use high-resolution angle resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) to investigate the electronic structure of the charge density wave (CDW) system LaSb$_2$. This compound is among an interesting…
We present a soft X-ray angle-resolved photoemission spectroscopy (SX-ARPES) study of the stoichiometric pnictide superconductor LaRu2P2. The observed electronic structure is in good agreement with density functional theory (DFT)…
We describe the correlated electronic structure of a prototype Fe-pnictide superconductor, $SmO_{1-x}F_{x}FeAs$, using LDA+DMFT. Strong, multi-orbital electronic correlations generate a low-energy pseudogap in the undistorted phase, giving…
We study the dependence of the electronic structure of iron pnictides on the angle formed by the arsenic-iron bonds. Within a Slater-Koster tight binding model which captures the correct symmetry properties of the bands, we show that the…
Motivated by the recent discovery of superconductivity in the iron-based ladder compound BaFe$_2$S$_3$ under high pressure, we derive low-energy effective Hamiltonians from first principles. We show that the complex band structure around…